6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one

C25H30O2 — CID 138691582

IUPAC6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccc2c(c1)C(O)C(CC(C)c1ccc3c(c1)CCCC3=O)CC2
InChIInChI=1S/C25H30O2/c1-3-17-7-8-18-9-10-21(25(27)23(18)14-17)13-16(2)19-11-12-22-20(15-19)5-4-6-24(22)26/h7-8,11-12,14-16,21,25,27H,3-6,9-10,13H2,1-2H3
InChIKeyFSHQFJCKBLWFAG-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.56
Rot. Bonds4

About 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one

6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 138691582) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID138691582
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccc2c(c1)C(O)C(CC(C)c1ccc3c(c1)CCCC3=O)CC2
InChIInChI=1S/C25H30O2/c1-3-17-7-8-18-9-10-21(25(27)23(18)14-17)13-16(2)19-11-12-22-20(15-19)5-4-6-24(22)26/h7-8,11-12,14-16,21,25,27H,3-6,9-10,13H2,1-2H3
InChIKeyFSHQFJCKBLWFAG-UHFFFAOYSA-N
XLogP5.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)propanedioate
CID 10087240
1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
CID 63514071
6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82074815
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one
CID 101399502
6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726554
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 146174337
6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 83819619
7-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-one;ethane
CID 90773598
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636

Frequently Asked Questions

What is the IUPAC name of 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 138691582) is 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one is CCc1ccc2c(c1)C(O)C(CC(C)c1ccc3c(c1)CCCC3=O)CC2.
What is the InChIKey of 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FSHQFJCKBLWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-3-17-7-8-18-9-10-21(25(27)23(18)14-17)13-16(2)19-11-12-22-20(15-19)5-4-6-24(22)26/h7-8,11-12,14-16,21,25,27H,3-6,9-10,13H2,1-2H3.
What are the key properties of 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one?
6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 362.51 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 138691582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).