(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol

C12H15ClO2 — CID 114826660

IUPAC(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccc(Cl)cc2)CO1
InChIInChI=1S/C12H15ClO2/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-5,8,10,12,14H,6-7H2,1H3
InChIKeyAZDRBCMWNVCQML-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.80
Rot. Bonds2

About (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol

(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol (PubChem CID 114826660) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
PubChem CID114826660
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccc(Cl)cc2)CO1
InChIInChI=1S/C12H15ClO2/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-5,8,10,12,14H,6-7H2,1H3
InChIKeyAZDRBCMWNVCQML-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826764
(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol
CID 130655294
(3-ethylphenyl)-(5-methyloxolan-3-yl)methanol
CID 115823866
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyloxolane
CID 114823010
7-[hydroxy-(5-methyloxolan-3-yl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
CID 114826743
(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823707
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane
CID 114826811

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol (CID 114826660) is (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol is CC1CC(C(O)c2ccc(Cl)cc2)CO1.
What is the InChIKey of (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol?
The InChIKey is AZDRBCMWNVCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-5,8,10,12,14H,6-7H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol?
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol has a molecular weight of 226.70 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methyloxolan-3-yl)methanol is sourced from PubChem (CID 114826660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).