1-phenylisochromen-1-ol

C15H12O2 — CID 134891978

IUPAC1-phenylisochromen-1-ol
SMILESOC1(c2ccccc2)OC=Cc2ccccc21
InChIInChI=1S/C15H12O2/c16-15(13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17-15/h1-11,16H
InChIKeyHNVIVHVWTZEEGY-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.88
Rot. Bonds1

About 1-phenylisochromen-1-ol

1-phenylisochromen-1-ol (PubChem CID 134891978) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-phenylisochromen-1-ol.

Molecular Properties

Compound Name1-phenylisochromen-1-ol
PubChem CID134891978
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-phenylisochromen-1-ol
SMILESOC1(c2ccccc2)OC=Cc2ccccc21
InChIInChI=1S/C15H12O2/c16-15(13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17-15/h1-11,16H
InChIKeyHNVIVHVWTZEEGY-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
2,2-diphenylfuran-3-one
CID 154310558
4-phenyl-1,3-benzodioxin-4-ol
CID 45117143
1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
CID 56695228
1-methoxyinden-1-ol
CID 22755553
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
2-ethynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 10561550
(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
N,N-bis(4-phenylphenyl)spiro[fluorene-9,1'-isochromene]-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-phenylisochromen-1-ol?
The IUPAC name of 1-phenylisochromen-1-ol (CID 134891978) is 1-phenylisochromen-1-ol.
What is the SMILES notation for 1-phenylisochromen-1-ol?
The canonical SMILES for 1-phenylisochromen-1-ol is OC1(c2ccccc2)OC=Cc2ccccc21.
What is the InChIKey of 1-phenylisochromen-1-ol?
The InChIKey is HNVIVHVWTZEEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-15(13-7-2-1-3-8-13)14-9-5-4-6-12(14)10-11-17-15/h1-11,16H.
What are the key properties of 1-phenylisochromen-1-ol?
1-phenylisochromen-1-ol has a molecular weight of 224.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylisochromen-1-ol is sourced from PubChem (CID 134891978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).