4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol

C14H13ClO3 — CID 15840100

IUPAC4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol
SMILESCOc1cc(CO)cc(Cl)c1-c1ccc(O)cc1
InChIInChI=1S/C14H13ClO3/c1-18-13-7-9(8-16)6-12(15)14(13)10-2-4-11(17)5-3-10/h2-7,16-17H,8H2,1H3
InChIKeyGDGGCWIJFNVCAY-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.21
Rot. Bonds3

About 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol

4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol (PubChem CID 15840100) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol.

Molecular Properties

Compound Name4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol
PubChem CID15840100
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol
SMILESCOc1cc(CO)cc(Cl)c1-c1ccc(O)cc1
InChIInChI=1S/C14H13ClO3/c1-18-13-7-9(8-16)6-12(15)14(13)10-2-4-11(17)5-3-10/h2-7,16-17H,8H2,1H3
InChIKeyGDGGCWIJFNVCAY-UHFFFAOYSA-N
XLogP3.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol?
The IUPAC name of 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol (CID 15840100) is 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol.
What is the SMILES notation for 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol?
The canonical SMILES for 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol is COc1cc(CO)cc(Cl)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol?
The InChIKey is GDGGCWIJFNVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c1-18-13-7-9(8-16)6-12(15)14(13)10-2-4-11(17)5-3-10/h2-7,16-17H,8H2,1H3.
What are the key properties of 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol?
4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol has a molecular weight of 264.71 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl]phenol is sourced from PubChem (CID 15840100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).