[3-(2-hydroxyethyl)phenyl]methanediol

C9H12O3 — CID 57042449

IUPAC[3-(2-hydroxyethyl)phenyl]methanediol
SMILESOCCc1cccc(C(O)O)c1
InChIInChI=1S/C9H12O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,9-12H,4-5H2
InChIKeyREMFEWYVWXYSDN-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.20
Rot. Bonds3

About [3-(2-hydroxyethyl)phenyl]methanediol

[3-(2-hydroxyethyl)phenyl]methanediol (PubChem CID 57042449) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)phenyl]methanediol.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)phenyl]methanediol
PubChem CID57042449
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name[3-(2-hydroxyethyl)phenyl]methanediol
SMILESOCCc1cccc(C(O)O)c1
InChIInChI=1S/C9H12O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,9-12H,4-5H2
InChIKeyREMFEWYVWXYSDN-UHFFFAOYSA-N
XLogP0.20
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3,4-dihydroxy-4-[3-(2-hydroxyethyl)phenyl]butanoate
CID 171895535
2-(3-bromophenyl)ethanol
CID 2734090
2-(3-iodophenyl)ethanol
CID 15169850
2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
ethyl 3,4-dihydroxy-4-[3-(2-hydroxyethyl)phenyl]butanoate
CID 171897327
3-[3-[3-(dihydroxymethyl)phenyl]-1-hydroxypropyl]benzoic acid
CID 18682986
(3-chlorophenyl)methanediol
CID 20679602
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
2-(3-phosphorosophenyl)ethanol
CID 129255944
[3-(2-hydroxyethyl)phenyl]boronic acid
CID 21091620
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)phenyl]methanediol?
The IUPAC name of [3-(2-hydroxyethyl)phenyl]methanediol (CID 57042449) is [3-(2-hydroxyethyl)phenyl]methanediol.
What is the SMILES notation for [3-(2-hydroxyethyl)phenyl]methanediol?
The canonical SMILES for [3-(2-hydroxyethyl)phenyl]methanediol is OCCc1cccc(C(O)O)c1.
What is the InChIKey of [3-(2-hydroxyethyl)phenyl]methanediol?
The InChIKey is REMFEWYVWXYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,9-12H,4-5H2.
What are the key properties of [3-(2-hydroxyethyl)phenyl]methanediol?
[3-(2-hydroxyethyl)phenyl]methanediol has a molecular weight of 168.19 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)phenyl]methanediol is sourced from PubChem (CID 57042449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).