5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol

C10H13ClO3 — CID 117308657

IUPAC5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
SMILESCOc1cc(CCCO)c(Cl)cc1O
InChIInChI=1S/C10H13ClO3/c1-14-10-5-7(3-2-4-12)8(11)6-9(10)13/h5-6,12-13H,2-4H2,1H3
InChIKeyMZQULLUWVVZFOU-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.98
Rot. Bonds4

About 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol

5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol (PubChem CID 117308657) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
PubChem CID117308657
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
SMILESCOc1cc(CCCO)c(Cl)cc1O
InChIInChI=1S/C10H13ClO3/c1-14-10-5-7(3-2-4-12)8(11)6-9(10)13/h5-6,12-13H,2-4H2,1H3
InChIKeyMZQULLUWVVZFOU-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
3-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 117305892
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
5-[(1R,2S)-2-hydroxycyclopentyl]-4-(3-hydroxypropyl)-2-methoxyphenol
CID 10400715
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol?
The IUPAC name of 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol (CID 117308657) is 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol.
What is the SMILES notation for 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol?
The canonical SMILES for 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol is COc1cc(CCCO)c(Cl)cc1O.
What is the InChIKey of 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol?
The InChIKey is MZQULLUWVVZFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-14-10-5-7(3-2-4-12)8(11)6-9(10)13/h5-6,12-13H,2-4H2,1H3.
What are the key properties of 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol?
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol has a molecular weight of 216.66 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol is sourced from PubChem (CID 117308657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).