3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol

C16H16O3 — CID 11708657

IUPAC3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(CC2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2
InChIKeyGXMQROMLTBPBKV-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.89
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol

3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol (PubChem CID 11708657) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
PubChem CID11708657
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(CC2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2
InChIKeyGXMQROMLTBPBKV-UHFFFAOYSA-N
XLogP2.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol (CID 11708657) is 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol is Oc1ccc(CC2COc3cc(O)ccc3C2)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is GXMQROMLTBPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol?
3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 256.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 11708657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).