2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol

C13H19ClO3 — CID 117400657

IUPAC2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(C(C)(C)O)cc1OC(C)C
InChIInChI=1S/C13H19ClO3/c1-8(2)17-12-6-9(13(3,4)15)10(14)7-11(12)16-5/h6-8,15H,1-5H3
InChIKeyXSLFITTUKULGBP-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.36
Rot. Bonds4

About 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol

2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol (PubChem CID 117400657) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
PubChem CID117400657
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(C(C)(C)O)cc1OC(C)C
InChIInChI=1S/C13H19ClO3/c1-8(2)17-12-6-9(13(3,4)15)10(14)7-11(12)16-5/h6-8,15H,1-5H3
InChIKeyXSLFITTUKULGBP-UHFFFAOYSA-N
XLogP3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117434580
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
4-amino-4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)butanoic acid
CID 117485873

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol?
The IUPAC name of 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol (CID 117400657) is 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol is COc1cc(Cl)c(C(C)(C)O)cc1OC(C)C.
What is the InChIKey of 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol?
The InChIKey is XSLFITTUKULGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-8(2)17-12-6-9(13(3,4)15)10(14)7-11(12)16-5/h6-8,15H,1-5H3.
What are the key properties of 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol?
2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol has a molecular weight of 258.74 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol is sourced from PubChem (CID 117400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).