1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol

C10H14O3 — CID 174484304

IUPAC1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol
SMILESCOC(O)c1cccc(C(C)O)c1
InChIInChI=1S/C10H14O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7,10-12H,1-2H3
InChIKeySWMFHOGSZLRDDC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds3

About 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol

1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol (PubChem CID 174484304) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol
PubChem CID174484304
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol
SMILESCOC(O)c1cccc(C(C)O)c1
InChIInChI=1S/C10H14O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7,10-12H,1-2H3
InChIKeySWMFHOGSZLRDDC-UHFFFAOYSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
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

(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-phenylethanol
CID 157125626
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
[3-(1-hydroxyethyl)phenyl] acetate
CID 11030413
1-(3-ethynylphenyl)ethanol
CID 163361172
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
[3-(1-hydroxyethyl)phenyl] methanesulfonate
CID 75220208

Frequently Asked Questions

What is the IUPAC name of 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol?
The IUPAC name of 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol (CID 174484304) is 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol is COC(O)c1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol?
The InChIKey is SWMFHOGSZLRDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7,10-12H,1-2H3.
What are the key properties of 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol?
1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol has a molecular weight of 182.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol is sourced from PubChem (CID 174484304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).