[2-chloro-6-(oxan-4-yloxy)phenyl]methanol

C12H15ClO3 — CID 114320600

IUPAC[2-chloro-6-(oxan-4-yloxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1OC1CCOCC1
InChIInChI=1S/C12H15ClO3/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9,14H,4-8H2
InChIKeyRGGDHOQEMQHXPE-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.39
Rot. Bonds3

About [2-chloro-6-(oxan-4-yloxy)phenyl]methanol

[2-chloro-6-(oxan-4-yloxy)phenyl]methanol (PubChem CID 114320600) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is [2-chloro-6-(oxan-4-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(oxan-4-yloxy)phenyl]methanol
PubChem CID114320600
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name[2-chloro-6-(oxan-4-yloxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1OC1CCOCC1
InChIInChI=1S/C12H15ClO3/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9,14H,4-8H2
InChIKeyRGGDHOQEMQHXPE-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenemethanol, 2-(phenylmethoxy)-
CID 18811
Chroman-4-ol
CID 92890
2-Phenoxybenzyl alcohol
CID 3660111
3-Chloro-2-methylanisole
CID 76749
(4S)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 7058027
[2-(Tetrahydropyran-4-yloxy)phenyl]methanol
CID 22932192
(R)-4-Chromanol
CID 640695
7-Chlorochroman-4-ol
CID 76851067
1,2-Propanediol, 3-(4-chloro-m-tolyloxy)-
CID 113940
[2-(Allyloxy)phenyl]methanol
CID 11137475
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(oxan-4-yloxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(oxan-4-yloxy)phenyl]methanol (CID 114320600) is [2-chloro-6-(oxan-4-yloxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(oxan-4-yloxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(oxan-4-yloxy)phenyl]methanol is OCc1c(Cl)cccc1OC1CCOCC1.
What is the InChIKey of [2-chloro-6-(oxan-4-yloxy)phenyl]methanol?
The InChIKey is RGGDHOQEMQHXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9,14H,4-8H2.
What are the key properties of [2-chloro-6-(oxan-4-yloxy)phenyl]methanol?
[2-chloro-6-(oxan-4-yloxy)phenyl]methanol has a molecular weight of 242.70 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(oxan-4-yloxy)phenyl]methanol is sourced from PubChem (CID 114320600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).