1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol

C11H15ClO4 — CID 60883908

IUPAC1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CO)cc(Cl)c1OCC(C)O
InChIInChI=1S/C11H15ClO4/c1-7(14)6-16-11-9(12)3-8(5-13)4-10(11)15-2/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyZBPCRFNLUGZDLK-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol

1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol (PubChem CID 60883908) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
PubChem CID60883908
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CO)cc(Cl)c1OCC(C)O
InChIInChI=1S/C11H15ClO4/c1-7(14)6-16-11-9(12)3-8(5-13)4-10(11)15-2/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyZBPCRFNLUGZDLK-UHFFFAOYSA-N
XLogP1.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 61495174
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol (CID 60883908) is 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol is COc1cc(CO)cc(Cl)c1OCC(C)O.
What is the InChIKey of 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol?
The InChIKey is ZBPCRFNLUGZDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-7(14)6-16-11-9(12)3-8(5-13)4-10(11)15-2/h3-4,7,13-14H,5-6H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol?
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol has a molecular weight of 246.69 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 60883908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).