4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol

C10H13ClO2 — CID 82265408

IUPAC4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(C(C)O)c(C)c1Cl
InChIInChI=1S/C10H13ClO2/c1-5-4-8(13)9(7(3)12)6(2)10(5)11/h4,7,12-13H,1-3H3
InChIKeyDVTYZTCBDRQQRZ-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol

4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol (PubChem CID 82265408) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
PubChem CID82265408
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(C(C)O)c(C)c1Cl
InChIInChI=1S/C10H13ClO2/c1-5-4-8(13)9(7(3)12)6(2)10(5)11/h4,7,12-13H,1-3H3
InChIKeyDVTYZTCBDRQQRZ-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-chloro-3,5-dimethylphenol
CID 66511614
3,5-dichloro-2-(1-hydroxyethyl)phenol
CID 130032494
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
CID 62379205
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
CID 84671170
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
ethyl 2-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-2-hydroxyacetate
CID 117400438
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one
CID 62381034

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol?
The IUPAC name of 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol (CID 82265408) is 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol.
What is the SMILES notation for 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol?
The canonical SMILES for 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol is Cc1cc(O)c(C(C)O)c(C)c1Cl.
What is the InChIKey of 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol?
The InChIKey is DVTYZTCBDRQQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-5-4-8(13)9(7(3)12)6(2)10(5)11/h4,7,12-13H,1-3H3.
What are the key properties of 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol?
4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol has a molecular weight of 200.66 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-hydroxyethyl)-3,5-dimethylphenol is sourced from PubChem (CID 82265408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).