(2-chloro-6-pentan-3-yloxyphenyl)methanol

C12H17ClO2 — CID 114320524

IUPAC(2-chloro-6-pentan-3-yloxyphenyl)methanol
SMILESCCC(CC)Oc1cccc(Cl)c1CO
InChIInChI=1S/C12H17ClO2/c1-3-9(4-2)15-12-7-5-6-11(13)10(12)8-14/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyDLHBWWFRTOBCSP-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.40
Rot. Bonds5

About (2-chloro-6-pentan-3-yloxyphenyl)methanol

(2-chloro-6-pentan-3-yloxyphenyl)methanol (PubChem CID 114320524) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is (2-chloro-6-pentan-3-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-pentan-3-yloxyphenyl)methanol
PubChem CID114320524
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name(2-chloro-6-pentan-3-yloxyphenyl)methanol
SMILESCCC(CC)Oc1cccc(Cl)c1CO
InChIInChI=1S/C12H17ClO2/c1-3-9(4-2)15-12-7-5-6-11(13)10(12)8-14/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyDLHBWWFRTOBCSP-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
CID 43345619
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-pentan-3-yloxyphenyl)methanol?
The IUPAC name of (2-chloro-6-pentan-3-yloxyphenyl)methanol (CID 114320524) is (2-chloro-6-pentan-3-yloxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-pentan-3-yloxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-pentan-3-yloxyphenyl)methanol is CCC(CC)Oc1cccc(Cl)c1CO.
What is the InChIKey of (2-chloro-6-pentan-3-yloxyphenyl)methanol?
The InChIKey is DLHBWWFRTOBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-3-9(4-2)15-12-7-5-6-11(13)10(12)8-14/h5-7,9,14H,3-4,8H2,1-2H3.
What are the key properties of (2-chloro-6-pentan-3-yloxyphenyl)methanol?
(2-chloro-6-pentan-3-yloxyphenyl)methanol has a molecular weight of 228.72 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-pentan-3-yloxyphenyl)methanol is sourced from PubChem (CID 114320524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).