3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol

C17H20O3 — CID 13385960

IUPAC3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol
SMILESCOc1ccc(C(O)c2ccccc2CCCO)cc1
InChIInChI=1S/C17H20O3/c1-20-15-10-8-14(9-11-15)17(19)16-7-3-2-5-13(16)6-4-12-18/h2-3,5,7-11,17-19H,4,6,12H2,1H3
InChIKeyUQDDOZDTCSQLQF-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.70
Rot. Bonds6

About 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol

3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol (PubChem CID 13385960) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol
PubChem CID13385960
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol
SMILESCOc1ccc(C(O)c2ccccc2CCCO)cc1
InChIInChI=1S/C17H20O3/c1-20-15-10-8-14(9-11-15)17(19)16-7-3-2-5-13(16)6-4-12-18/h2-3,5,7-11,17-19H,4,6,12H2,1H3
InChIKeyUQDDOZDTCSQLQF-UHFFFAOYSA-N
XLogP2.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol
CID 164900088
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
2-[hydroxy-(4-methoxyphenyl)methyl]benzamide
CID 101445139
[2-(hydroxymethyl)-6-methoxyphenyl]-(4-methoxyphenyl)methanol
CID 15548223
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
N-ethyl-2-[hydroxy-(4-methoxyphenyl)methyl]benzenecarbothioamide
CID 177493458
[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol
CID 102327787
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
CID 170887613
(4-cyclopropyloxyphenyl)-[2-(methoxymethyl)phenyl]methanol
CID 114518627
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401

Frequently Asked Questions

What is the IUPAC name of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol?
The IUPAC name of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol (CID 13385960) is 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol is COc1ccc(C(O)c2ccccc2CCCO)cc1.
What is the InChIKey of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol?
The InChIKey is UQDDOZDTCSQLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-20-15-10-8-14(9-11-15)17(19)16-7-3-2-5-13(16)6-4-12-18/h2-3,5,7-11,17-19H,4,6,12H2,1H3.
What are the key properties of 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol?
3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol has a molecular weight of 272.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol is sourced from PubChem (CID 13385960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).