1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol

C11H16O3 — CID 117286234

IUPAC1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
SMILESOCCCc1ccccc1C(O)CO
InChIInChI=1S/C11H16O3/c12-7-3-5-9-4-1-2-6-10(9)11(14)8-13/h1-2,4,6,11-14H,3,5,7-8H2
InChIKeySGBFQGTZIRFCMI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.64
Rot. Bonds5

About 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol

1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol (PubChem CID 117286234) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
PubChem CID117286234
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
SMILESOCCCc1ccccc1C(O)CO
InChIInChI=1S/C11H16O3/c12-7-3-5-9-4-1-2-6-10(9)11(14)8-13/h1-2,4,6,11-14H,3,5,7-8H2
InChIKeySGBFQGTZIRFCMI-UHFFFAOYSA-N
XLogP0.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
CID 117287035
1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol
CID 117285666
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
CID 54528476
3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol
CID 13385960
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674
N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
CID 170830393
N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
CID 171883384
3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289348
1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
CID 57082676
3-naphthalen-1-ylpropan-1-ol
CID 14711518
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol (CID 117286234) is 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol is OCCCc1ccccc1C(O)CO.
What is the InChIKey of 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol?
The InChIKey is SGBFQGTZIRFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-7-3-5-9-4-1-2-6-10(9)11(14)8-13/h1-2,4,6,11-14H,3,5,7-8H2.
What are the key properties of 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol?
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117286234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).