(1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene

C27H32 — CID 144698816

IUPAC(1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)CCC[C@@H]2Cc1ccc(C)c([C@@H]2C=CCC(C)=C2)c1
InChIInChI=1S/C27H32/c1-4-21-13-14-26-24(16-21)9-6-10-25(26)17-22-12-11-20(3)27(18-22)23-8-5-7-19(2)15-23/h5,8,11-16,18,23,25H,4,6-7,9-10,17H2,1-3H3/t23-,25-/m1/s1
InChIKeyZPPBINOAZFLAFQ-ILBGXUMGSA-N
MW356.55 g/mol
LogP7.21
Rot. Bonds4

About (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene

(1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 144698816) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID144698816
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name(1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)CCC[C@@H]2Cc1ccc(C)c([C@@H]2C=CCC(C)=C2)c1
InChIInChI=1S/C27H32/c1-4-21-13-14-26-24(16-21)9-6-10-25(26)17-22-12-11-20(3)27(18-22)23-8-5-7-19(2)15-23/h5,8,11-16,18,23,25H,4,6-7,9-10,17H2,1-3H3/t23-,25-/m1/s1
InChIKeyZPPBINOAZFLAFQ-ILBGXUMGSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 118531309
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762
1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
CID 63514071
2-[6-(cyclohexylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;2,3-dihydro-1H-indene;ethane;2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 159515363
6,7-dimethyl-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 21064777
6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91195901
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647

Frequently Asked Questions

What is the IUPAC name of (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene (CID 144698816) is (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene is CCc1ccc2c(c1)CCC[C@@H]2Cc1ccc(C)c([C@@H]2C=CCC(C)=C2)c1.
What is the InChIKey of (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZPPBINOAZFLAFQ-ILBGXUMGSA-N. The full InChI is InChI=1S/C27H32/c1-4-21-13-14-26-24(16-21)9-6-10-25(26)17-22-12-11-20(3)27(18-22)23-8-5-7-19(2)15-23/h5,8,11-16,18,23,25H,4,6-7,9-10,17H2,1-3H3/t23-,25-/m1/s1.
What are the key properties of (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene?
(1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 356.55 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-ethyl-1-[[4-methyl-3-[(1R)-3-methylcyclohexa-2,5-dien-1-yl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144698816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).