3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol

C17H16O — CID 144583460

IUPAC3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol
SMILESCc1ccc(C2=CC3C=CC=CC3C=C2O)cc1
InChIInChI=1S/C17H16O/c1-12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)11-17(16)18/h2-11,14-15,18H,1H3
InChIKeySVXKOXFMLUTBAE-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.19
Rot. Bonds1

About 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol

3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol (PubChem CID 144583460) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol
PubChem CID144583460
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol
SMILESCc1ccc(C2=CC3C=CC=CC3C=C2O)cc1
InChIInChI=1S/C17H16O/c1-12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)11-17(16)18/h2-11,14-15,18H,1H3
InChIKeySVXKOXFMLUTBAE-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)cyclohepta-2,4,6-triene-1,2-diol
CID 146179006
ethane;2-(4-methylphenyl)-4,4a-dihydronaphthalen-1-ol
CID 144703513
potassium;hydride;1,4-xylene
CID 173420414
lithium;hydride;1,4-xylene
CID 173349078
4-methylphenol
CID 70549076
ethane;4-(4-methylphenyl)phenol
CID 161379556
ethane;methanol;1,4-xylene
CID 171074418
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
3,5-dimethyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299485
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
cobalt;bis(1,4-xylene)
CID 67859603

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol?
The IUPAC name of 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol (CID 144583460) is 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol.
What is the SMILES notation for 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol?
The canonical SMILES for 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol is Cc1ccc(C2=CC3C=CC=CC3C=C2O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol?
The InChIKey is SVXKOXFMLUTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)11-17(16)18/h2-11,14-15,18H,1H3.
What are the key properties of 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol?
3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol has a molecular weight of 236.31 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4a,8a-dihydronaphthalen-2-ol is sourced from PubChem (CID 144583460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).