3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol

C12H17ClO3 — CID 117363855

IUPAC3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cc(OC)c(Cl)cc1CCCO
InChIInChI=1S/C12H17ClO3/c1-15-8-10-7-12(16-2)11(13)6-9(10)4-3-5-14/h6-7,14H,3-5,8H2,1-2H3
InChIKeyVHNYSEUFPCKPPK-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.42
Rot. Bonds6

About 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol

3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol (PubChem CID 117363855) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
PubChem CID117363855
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cc(OC)c(Cl)cc1CCCO
InChIInChI=1S/C12H17ClO3/c1-15-8-10-7-12(16-2)11(13)6-9(10)4-3-5-14/h6-7,14H,3-5,8H2,1-2H3
InChIKeyVHNYSEUFPCKPPK-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117306101
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5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
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5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
3-(6-chloro-5-methoxy-1-propan-2-ylindol-3-yl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol (CID 117363855) is 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol is COCc1cc(OC)c(Cl)cc1CCCO.
What is the InChIKey of 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol?
The InChIKey is VHNYSEUFPCKPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-15-8-10-7-12(16-2)11(13)6-9(10)4-3-5-14/h6-7,14H,3-5,8H2,1-2H3.
What are the key properties of 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol?
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol has a molecular weight of 244.72 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117363855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).