4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol

C17H24O2 — CID 10236249

IUPAC4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol
SMILESCOc1cc(C2CCC3(C)CCCC3C2)ccc1O
InChIInChI=1S/C17H24O2/c1-17-8-3-4-14(17)10-13(7-9-17)12-5-6-15(18)16(11-12)19-2/h5-6,11,13-14,18H,3-4,7-10H2,1-2H3
InChIKeyITAGEPWJRFUVRZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.47
Rot. Bonds2

About 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol

4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol (PubChem CID 10236249) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol
PubChem CID10236249
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol
SMILESCOc1cc(C2CCC3(C)CCCC3C2)ccc1O
InChIInChI=1S/C17H24O2/c1-17-8-3-4-14(17)10-13(7-9-17)12-5-6-15(18)16(11-12)19-2/h5-6,11,13-14,18H,3-4,7-10H2,1-2H3
InChIKeyITAGEPWJRFUVRZ-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol with MolForge

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Related Compounds

4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol
CID 10214721
2-methoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21119678
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260
2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21174044
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
2-methoxy-4-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)phenol
CID 676994
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
CID 4019771
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369
4-[(4aR,7R,8aR)-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-2-yl]-2-methoxyphenol
CID 59592158

Frequently Asked Questions

What is the IUPAC name of 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol?
The IUPAC name of 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol (CID 10236249) is 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol?
The canonical SMILES for 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol is COc1cc(C2CCC3(C)CCCC3C2)ccc1O.
What is the InChIKey of 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol?
The InChIKey is ITAGEPWJRFUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17-8-3-4-14(17)10-13(7-9-17)12-5-6-15(18)16(11-12)19-2/h5-6,11,13-14,18H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol?
4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol has a molecular weight of 260.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-2-methoxyphenol is sourced from PubChem (CID 10236249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).