2-(3,4-dihydro-1H-isochromen-1-yl)phenol

C15H14O2 — CID 12676914

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)phenol
SMILESOc1ccccc1C1OCCc2ccccc21
InChIInChI=1S/C15H14O2/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8,15-16H,9-10H2
InChIKeyHKVSPDJWERBYGN-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.05
Rot. Bonds1

About 2-(3,4-dihydro-1H-isochromen-1-yl)phenol

2-(3,4-dihydro-1H-isochromen-1-yl)phenol (PubChem CID 12676914) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)phenol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)phenol
PubChem CID12676914
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)phenol
SMILESOc1ccccc1C1OCCc2ccccc21
InChIInChI=1S/C15H14O2/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8,15-16H,9-10H2
InChIKeyHKVSPDJWERBYGN-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)phenol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)phenol (CID 12676914) is 2-(3,4-dihydro-1H-isochromen-1-yl)phenol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)phenol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)phenol is Oc1ccccc1C1OCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)phenol?
The InChIKey is HKVSPDJWERBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-8,15-16H,9-10H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)phenol?
2-(3,4-dihydro-1H-isochromen-1-yl)phenol has a molecular weight of 226.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)phenol is sourced from PubChem (CID 12676914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).