[3-chloro-5-(oxan-2-yloxy)phenyl]methanol

C12H15ClO3 — CID 15631342

IUPAC[3-chloro-5-(oxan-2-yloxy)phenyl]methanol
SMILESOCc1cc(Cl)cc(OC2CCCCO2)c1
InChIInChI=1S/C12H15ClO3/c13-10-5-9(8-14)6-11(7-10)16-12-3-1-2-4-15-12/h5-7,12,14H,1-4,8H2
InChIKeyYLZYBNUJBNLCEP-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.74
Rot. Bonds3

About [3-chloro-5-(oxan-2-yloxy)phenyl]methanol

[3-chloro-5-(oxan-2-yloxy)phenyl]methanol (PubChem CID 15631342) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is [3-chloro-5-(oxan-2-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(oxan-2-yloxy)phenyl]methanol
PubChem CID15631342
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name[3-chloro-5-(oxan-2-yloxy)phenyl]methanol
SMILESOCc1cc(Cl)cc(OC2CCCCO2)c1
InChIInChI=1S/C12H15ClO3/c13-10-5-9(8-14)6-11(7-10)16-12-3-1-2-4-15-12/h5-7,12,14H,1-4,8H2
InChIKeyYLZYBNUJBNLCEP-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(oxan-2-yloxy)-3-pyridinyl]methanol
CID 168916657
3-chloro-5-(oxan-2-yloxy)pyridine
CID 20594224
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
[3-iodo-5-methyl-4-(oxan-2-yloxy)phenyl]methanol
CID 176847894
(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
CID 97044046
2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid
CID 71051520
[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
CID 99717398
4-(oxan-2-yloxy)phenol
CID 11745519
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
methyl 3,5-bis(oxan-2-yloxy)benzoate
CID 21305399
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
lithium 2-(phenoxy)oxane
CID 22133362

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(oxan-2-yloxy)phenyl]methanol?
The IUPAC name of [3-chloro-5-(oxan-2-yloxy)phenyl]methanol (CID 15631342) is [3-chloro-5-(oxan-2-yloxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-5-(oxan-2-yloxy)phenyl]methanol?
The canonical SMILES for [3-chloro-5-(oxan-2-yloxy)phenyl]methanol is OCc1cc(Cl)cc(OC2CCCCO2)c1.
What is the InChIKey of [3-chloro-5-(oxan-2-yloxy)phenyl]methanol?
The InChIKey is YLZYBNUJBNLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c13-10-5-9(8-14)6-11(7-10)16-12-3-1-2-4-15-12/h5-7,12,14H,1-4,8H2.
What are the key properties of [3-chloro-5-(oxan-2-yloxy)phenyl]methanol?
[3-chloro-5-(oxan-2-yloxy)phenyl]methanol has a molecular weight of 242.70 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(oxan-2-yloxy)phenyl]methanol is sourced from PubChem (CID 15631342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).