(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol

C14H19ClO2 — CID 113319534

IUPAC(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol
SMILESCc1cc(Cl)c(C(O)C2OCCC2C)cc1C
InChIInChI=1S/C14H19ClO2/c1-8-4-5-17-14(8)13(16)11-6-9(2)10(3)7-12(11)15/h6-8,13-14,16H,4-5H2,1-3H3
InChIKeyPKDZDLLWDMVDHL-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.42
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol

(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol (PubChem CID 113319534) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol
PubChem CID113319534
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol
SMILESCc1cc(Cl)c(C(O)C2OCCC2C)cc1C
InChIInChI=1S/C14H19ClO2/c1-8-4-5-17-14(8)13(16)11-6-9(2)10(3)7-12(11)15/h6-8,13-14,16H,4-5H2,1-3H3
InChIKeyPKDZDLLWDMVDHL-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-3-methyloxolane
CID 115484908
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115820768
(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105033003
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796862
5-[hydroxy-(3-methyloxolan-2-yl)methyl]furan-2-carboxylic acid
CID 106947198
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115799765
(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
CID 104661160
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methyloxolane
CID 102764987

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol (CID 113319534) is (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol is Cc1cc(Cl)c(C(O)C2OCCC2C)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol?
The InChIKey is PKDZDLLWDMVDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-8-4-5-17-14(8)13(16)11-6-9(2)10(3)7-12(11)15/h6-8,13-14,16H,4-5H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol?
(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol has a molecular weight of 254.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol is sourced from PubChem (CID 113319534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).