(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol

C14H19FO2 — CID 107128604

IUPAC(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
SMILESCOC1(C(O)c2ccc(C)c(F)c2)CCCC1
InChIInChI=1S/C14H19FO2/c1-10-5-6-11(9-12(10)15)13(16)14(17-2)7-3-4-8-14/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeyGPXUGVYFBDIERE-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.13
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol

(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol (PubChem CID 107128604) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
PubChem CID107128604
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
SMILESCOC1(C(O)c2ccc(C)c(F)c2)CCCC1
InChIInChI=1S/C14H19FO2/c1-10-5-6-11(9-12(10)15)13(16)14(17-2)7-3-4-8-14/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeyGPXUGVYFBDIERE-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2-fluoro-4,6-dimethylphenyl)-(1-methoxycyclohexyl)methanol
CID 106881183
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
CID 116753501
(5-fluoro-3-pyridinyl)-(1-methoxycyclopentyl)methanol
CID 104610410
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
CID 107288648
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol (CID 107128604) is (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol is COC1(C(O)c2ccc(C)c(F)c2)CCCC1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol?
The InChIKey is GPXUGVYFBDIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10-5-6-11(9-12(10)15)13(16)14(17-2)7-3-4-8-14/h5-6,9,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol?
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol has a molecular weight of 238.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol is sourced from PubChem (CID 107128604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).