(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol

C18H21FO — CID 107181750

IUPAC(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
SMILESCC1(C)CCCC1C(O)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H21FO/c1-18(2)11-5-8-15(18)17(20)14-9-10-16(19)13-7-4-3-6-12(13)14/h3-4,6-7,9-10,15,17,20H,5,8,11H2,1-2H3
InChIKeyHDRIPIYLXRAUSJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.84
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol

(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol (PubChem CID 107181750) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
PubChem CID107181750
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
SMILESCC1(C)CCCC1C(O)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H21FO/c1-18(2)11-5-8-15(18)17(20)14-9-10-16(19)13-7-4-3-6-12(13)14/h3-4,6-7,9-10,15,17,20H,5,8,11H2,1-2H3
InChIKeyHDRIPIYLXRAUSJ-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
CID 107182433
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 103979712
(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002540
(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181873
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol (CID 107181750) is (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol is CC1(C)CCCC1C(O)c1ccc(F)c2ccccc12.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol?
The InChIKey is HDRIPIYLXRAUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-18(2)11-5-8-15(18)17(20)14-9-10-16(19)13-7-4-3-6-12(13)14/h3-4,6-7,9-10,15,17,20H,5,8,11H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol?
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol has a molecular weight of 272.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol is sourced from PubChem (CID 107181750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).