2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol

C18H22O — CID 106663884

IUPAC2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22O/c1-13-11-17(2,3)12-18(13,19)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyNKKXDUKVFODPIX-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.48
Rot. Bonds1

About 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol

2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol (PubChem CID 106663884) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
PubChem CID106663884
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22O/c1-13-11-17(2,3)12-18(13,19)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyNKKXDUKVFODPIX-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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Related Compounds

trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
3-methoxy-1-naphthalen-2-ylcyclobutan-1-ol
CID 106823614
trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol
CID 175100911
2,4,4-trimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81304523
4-methyl-1-naphthalen-2-ylcyclohexan-1-ol
CID 55115883
2-(1-methylcyclopropyl)naphthalene
CID 10511657
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663829
N,N-dimethyl-1-[(2R)-2-methyl-1-naphthalen-2-ylcyclopropyl]methanamine
CID 130346820
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
(5R,7S)-1-methyl-3-naphthalen-2-yladamantane
CID 11108619

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol (CID 106663884) is 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol is CC1CC(C)(C)CC1(O)c1ccc2ccccc2c1.
What is the InChIKey of 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol?
The InChIKey is NKKXDUKVFODPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-11-17(2,3)12-18(13,19)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol?
2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-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 2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol is sourced from PubChem (CID 106663884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).