(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol

C14H18Cl2O — CID 107181647

IUPAC(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2O/c1-14(2)7-3-4-11(14)13(17)10-8-9(15)5-6-12(10)16/h5-6,8,11,13,17H,3-4,7H2,1-2H3
InChIKeyULHJXMSFCZSYFS-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.85
Rot. Bonds2

About (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol

(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107181647) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
PubChem CID107181647
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2O/c1-14(2)7-3-4-11(14)13(17)10-8-9(15)5-6-12(10)16/h5-6,8,11,13,17H,3-4,7H2,1-2H3
InChIKeyULHJXMSFCZSYFS-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181881
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
CID 107181811
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol (CID 107181647) is (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol is CC1(C)CCCC1C(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is ULHJXMSFCZSYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-14(2)7-3-4-11(14)13(17)10-8-9(15)5-6-12(10)16/h5-6,8,11,13,17H,3-4,7H2,1-2H3.
What are the key properties of (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol?
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol has a molecular weight of 273.20 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107181647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).