1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene

C18H28O — CID 135276645

IUPAC1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
SMILESCOc1cccc(CC[C@H]2C(C)CCCC2(C)C)c1
InChIInChI=1S/C18H28O/c1-14-7-6-12-18(2,3)17(14)11-10-15-8-5-9-16(13-15)19-4/h5,8-9,13-14,17H,6-7,10-12H2,1-4H3/t14?,17-/m0/s1
InChIKeyHOCJCMPCSKZBQY-JRZJBTRGSA-N
MW260.42 g/mol
LogP5.09
Rot. Bonds4

About 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene

1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene (PubChem CID 135276645) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
PubChem CID135276645
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
SMILESCOc1cccc(CC[C@H]2C(C)CCCC2(C)C)c1
InChIInChI=1S/C18H28O/c1-14-7-6-12-18(2,3)17(14)11-10-15-8-5-9-16(13-15)19-4/h5,8-9,13-14,17H,6-7,10-12H2,1-4H3/t14?,17-/m0/s1
InChIKeyHOCJCMPCSKZBQY-JRZJBTRGSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene 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

1-[2-(3-methoxyphenyl)ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2-carboxylic acid
CID 123809162
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
1-[2-(3,5-dimethoxyphenyl)ethyl]-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 123915245
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
1-chloro-3-[[(1R,6S)-2,2,6-trimethylcyclohexyl]methoxy]benzene
CID 71582304
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843512
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79848176
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene?
The IUPAC name of 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene (CID 135276645) is 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene?
The canonical SMILES for 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene is COc1cccc(CC[C@H]2C(C)CCCC2(C)C)c1.
What is the InChIKey of 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene?
The InChIKey is HOCJCMPCSKZBQY-JRZJBTRGSA-N. The full InChI is InChI=1S/C18H28O/c1-14-7-6-12-18(2,3)17(14)11-10-15-8-5-9-16(13-15)19-4/h5,8-9,13-14,17H,6-7,10-12H2,1-4H3/t14?,17-/m0/s1.
What are the key properties of 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene?
1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene is sourced from PubChem (CID 135276645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).