ethane-1,2-diol;phenylmethanol

C9H14O3 — CID 69228462

IUPACethane-1,2-diol;phenylmethanol
SMILESOCCO.OCc1ccccc1
InChIInChI=1S/C7H8O.C2H6O2/c8-6-7-4-2-1-3-5-7;3-1-2-4/h1-5,8H,6H2;3-4H,1-2H2
InChIKeyHFPCTVOZHVSWPO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.15
Rot. Bonds2

About ethane-1,2-diol;phenylmethanol

ethane-1,2-diol;phenylmethanol (PubChem CID 69228462) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethane-1,2-diol;phenylmethanol.

Molecular Properties

Compound Nameethane-1,2-diol;phenylmethanol
PubChem CID69228462
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethane-1,2-diol;phenylmethanol
SMILESOCCO.OCc1ccccc1
InChIInChI=1S/C7H8O.C2H6O2/c8-6-7-4-2-1-3-5-7;3-1-2-4/h1-5,8H,6H2;3-4H,1-2H2
InChIKeyHFPCTVOZHVSWPO-UHFFFAOYSA-N
XLogP0.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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molecular hydrogen;phenylmethanol
CID 158888584
phenylmethanol;phosphane;trihydrobromide
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CID 70634097
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CID 174808232

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;phenylmethanol?
The IUPAC name of ethane-1,2-diol;phenylmethanol (CID 69228462) is ethane-1,2-diol;phenylmethanol.
What is the SMILES notation for ethane-1,2-diol;phenylmethanol?
The canonical SMILES for ethane-1,2-diol;phenylmethanol is OCCO.OCc1ccccc1.
What is the InChIKey of ethane-1,2-diol;phenylmethanol?
The InChIKey is HFPCTVOZHVSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H6O2/c8-6-7-4-2-1-3-5-7;3-1-2-4/h1-5,8H,6H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;phenylmethanol?
ethane-1,2-diol;phenylmethanol has a molecular weight of 170.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;phenylmethanol is sourced from PubChem (CID 69228462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).