4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol

C18H26O — CID 22384398

IUPAC4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol
SMILESCCC1CCC2CC(c3ccc(O)cc3)CCC2C1
InChIInChI=1S/C18H26O/c1-2-13-3-4-17-12-16(6-5-15(17)11-13)14-7-9-18(19)10-8-14/h7-10,13,15-17,19H,2-6,11-12H2,1H3
InChIKeyQEUPOTVNNOPEDC-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.10
Rot. Bonds2

About 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol

4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol (PubChem CID 22384398) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol.

Molecular Properties

Compound Name4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol
PubChem CID22384398
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol
SMILESCCC1CCC2CC(c3ccc(O)cc3)CCC2C1
InChIInChI=1S/C18H26O/c1-2-13-3-4-17-12-16(6-5-15(17)11-13)14-7-9-18(19)10-8-14/h7-10,13,15-17,19H,2-6,11-12H2,1H3
InChIKeyQEUPOTVNNOPEDC-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4aR,8aR)-2-(4-chlorophenyl)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809545
(4aR,6R,8aR)-2-ethyl-6-[4-[2-(4-ethylphenyl)ethynyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809788
4-(3-cyclopentylcyclopentyl)phenol
CID 57025920
(2R,4aR,8aR)-2-[4-(4-chloro-3,5-difluorophenyl)phenyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809309
(4aR,6R,8aR)-2-ethyl-6-(3-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809252
(4aR,6R,8aR)-2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809523
2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384397
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
2-ethyl-6-[4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384116
2-[2-(4-ethylcyclohexyl)ethyl]-6-(4-propoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837637
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
CID 139648649

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol?
The IUPAC name of 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol (CID 22384398) is 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol.
What is the SMILES notation for 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol?
The canonical SMILES for 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol is CCC1CCC2CC(c3ccc(O)cc3)CCC2C1.
What is the InChIKey of 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol?
The InChIKey is QEUPOTVNNOPEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-2-13-3-4-17-12-16(6-5-15(17)11-13)14-7-9-18(19)10-8-14/h7-10,13,15-17,19H,2-6,11-12H2,1H3.
What are the key properties of 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol?
4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol has a molecular weight of 258.40 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenol is sourced from PubChem (CID 22384398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).