[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol

C12H17ClO4 — CID 113438824

IUPAC[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
SMILESCOCC(C)Oc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C12H17ClO4/c1-8(7-15-2)17-12-9(6-14)4-10(13)5-11(12)16-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyNLRYTAUYUQGCCI-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.25
Rot. Bonds6

About [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol

[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol (PubChem CID 113438824) has the molecular formula C12H17ClO4 and a molecular weight of 260.72 g/mol. Its IUPAC name is [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
PubChem CID113438824
Molecular FormulaC12H17ClO4
Molecular Weight260.72 g/mol
Exact Mass260.08
IUPAC Name[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
SMILESCOCC(C)Oc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C12H17ClO4/c1-8(7-15-2)17-12-9(6-14)4-10(13)5-11(12)16-3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyNLRYTAUYUQGCCI-UHFFFAOYSA-N
XLogP2.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]butanoic acid
CID 113438827
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
3-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 104665899
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 104666115
(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
CID 104666169
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
CID 104666078

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol?
The IUPAC name of [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol (CID 113438824) is [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol?
The canonical SMILES for [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol is COCC(C)Oc1c(CO)cc(Cl)cc1OC.
What is the InChIKey of [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol?
The InChIKey is NLRYTAUYUQGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO4/c1-8(7-15-2)17-12-9(6-14)4-10(13)5-11(12)16-3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol?
[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol has a molecular weight of 260.72 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol is sourced from PubChem (CID 113438824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).