[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol

C13H17ClO2 — CID 106870599

IUPAC[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
SMILESCc1ccc(CC2(CO)CCOC2)c(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-10-2-3-11(12(14)6-10)7-13(8-15)4-5-16-9-13/h2-3,6,15H,4-5,7-9H2,1H3
InChIKeyUZCPTLQRFQKSKV-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.59
Rot. Bonds3

About [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol

[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol (PubChem CID 106870599) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
PubChem CID106870599
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
SMILESCc1ccc(CC2(CO)CCOC2)c(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-10-2-3-11(12(14)6-10)7-13(8-15)4-5-16-9-13/h2-3,6,15H,4-5,7-9H2,1H3
InChIKeyUZCPTLQRFQKSKV-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol (CID 106870599) is [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol is Cc1ccc(CC2(CO)CCOC2)c(Cl)c1.
What is the InChIKey of [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is UZCPTLQRFQKSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-10-2-3-11(12(14)6-10)7-13(8-15)4-5-16-9-13/h2-3,6,15H,4-5,7-9H2,1H3.
What are the key properties of [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol?
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 106870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).