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

C16H16O4 — CID 162970111

IUPAC(3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(CO[C@H]2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O4/c17-13-4-1-11(2-5-13)9-19-15-7-12-3-6-14(18)8-16(12)20-10-15/h1-6,8,15,17-18H,7,9-10H2/t15-/m1/s1
InChIKeyFRZFMOIHZONFCZ-OAHLLOKOSA-N
MW272.30 g/mol
LogP2.62
Rot. Bonds3

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

(3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol (PubChem CID 162970111) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol
PubChem CID162970111
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(CO[C@H]2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O4/c17-13-4-1-11(2-5-13)9-19-15-7-12-3-6-14(18)8-16(12)20-10-15/h1-6,8,15,17-18H,7,9-10H2/t15-/m1/s1
InChIKeyFRZFMOIHZONFCZ-OAHLLOKOSA-N
XLogP2.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 11708657
3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide
CID 131732536
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
CID 177248657
[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamic acid
CID 137480448
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 42604621
ethane;4-phenylmethoxyoxolan-2-one
CID 143867154
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one
CID 123676443
5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
CID 122206413
3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
CID 83229034

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol (CID 162970111) is (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol is Oc1ccc(CO[C@H]2COc3cc(O)ccc3C2)cc1.
What is the InChIKey of (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is FRZFMOIHZONFCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O4/c17-13-4-1-11(2-5-13)9-19-15-7-12-3-6-14(18)8-16(12)20-10-15/h1-6,8,15,17-18H,7,9-10H2/t15-/m1/s1.
What are the key properties of (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol?
(3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 272.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 162970111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).