(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol

C12H15ClO3 — CID 115798171

IUPAC(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)C1CCOC1
InChIInChI=1S/C12H15ClO3/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7H2,1H3
InChIKeyUZCZNAARQCWXBF-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.42
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol

(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol (PubChem CID 115798171) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
PubChem CID115798171
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)C1CCOC1
InChIInChI=1S/C12H15ClO3/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7H2,1H3
InChIKeyUZCZNAARQCWXBF-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol (CID 115798171) is (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol is COc1cc(Cl)ccc1C(O)C1CCOC1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol?
The InChIKey is UZCZNAARQCWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol?
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol has a molecular weight of 242.70 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 115798171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).