3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol

C18H22O — CID 64746265

IUPAC3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cccc3ccccc23)CC1C
InChIInChI=1S/C18H22O/c1-13-10-11-18(19,12-14(13)2)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,19H,10-12H2,1-2H3
InChIKeySKHOZHVRVCIBQW-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.48
Rot. Bonds1

About 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol

3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol (PubChem CID 64746265) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol
PubChem CID64746265
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cccc3ccccc23)CC1C
InChIInChI=1S/C18H22O/c1-13-10-11-18(19,12-14(13)2)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,19H,10-12H2,1-2H3
InChIKeySKHOZHVRVCIBQW-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol (CID 64746265) is 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol is CC1CCC(O)(c2cccc3ccccc23)CC1C.
What is the InChIKey of 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol?
The InChIKey is SKHOZHVRVCIBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-10-11-18(19,12-14(13)2)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13-14,19H,10-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol?
3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol is sourced from PubChem (CID 64746265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).