4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol

C9H11ClO3 — CID 84671120

IUPAC4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
SMILESCOc1cc(Cl)c(C(C)O)cc1O
InChIInChI=1S/C9H11ClO3/c1-5(11)6-3-8(12)9(13-2)4-7(6)10/h3-5,11-12H,1-2H3
InChIKeyPJXNJSJVTIVJRL-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.11
Rot. Bonds2

About 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol

4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol (PubChem CID 84671120) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
PubChem CID84671120
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
SMILESCOc1cc(Cl)c(C(C)O)cc1O
InChIInChI=1S/C9H11ClO3/c1-5(11)6-3-8(12)9(13-2)4-7(6)10/h3-5,11-12H,1-2H3
InChIKeyPJXNJSJVTIVJRL-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
2-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 105468143
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
CID 57480108
5-chloro-2-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 130664375
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
CID 105426027
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol?
The IUPAC name of 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol (CID 84671120) is 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol.
What is the SMILES notation for 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol?
The canonical SMILES for 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol is COc1cc(Cl)c(C(C)O)cc1O.
What is the InChIKey of 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol?
The InChIKey is PJXNJSJVTIVJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c1-5(11)6-3-8(12)9(13-2)4-7(6)10/h3-5,11-12H,1-2H3.
What are the key properties of 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol?
4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol has a molecular weight of 202.64 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol is sourced from PubChem (CID 84671120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).