2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol

C15H14O3 — CID 174539962

IUPAC2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol
SMILESOc1ccc(C2(O)CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14O3/c16-13-7-5-12(6-8-13)15(17)10-9-11-3-1-2-4-14(11)18-15/h1-8,16-17H,9-10H2
InChIKeyBACAMRBCACKYOQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.56
Rot. Bonds1

About 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol

2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol (PubChem CID 174539962) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol
PubChem CID174539962
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol
SMILESOc1ccc(C2(O)CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14O3/c16-13-7-5-12(6-8-13)15(17)10-9-11-3-1-2-4-14(11)18-15/h1-8,16-17H,9-10H2
InChIKeyBACAMRBCACKYOQ-UHFFFAOYSA-N
XLogP2.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-3,4-dihydrochromen-2-ol
CID 10307936
2,2-difluoro-3,4-dihydrochromene
CID 14418574
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
3,4-dihydrochromene-2,2-dicarboxylic acid
CID 67576895
3-(2-hydroxy-3,4-dihydrochromen-2-yl)propanoic acid
CID 67346634
3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol
CID 10633909
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
CID 18005860
ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
CID 143787682
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
CID 1202572
spiro[3,4-dihydrochromene-2,2'-oxane]
CID 25016653

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol (CID 174539962) is 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol is Oc1ccc(C2(O)CCc3ccccc3O2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol?
The InChIKey is BACAMRBCACKYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-13-7-5-12(6-8-13)15(17)10-9-11-3-1-2-4-14(11)18-15/h1-8,16-17H,9-10H2.
What are the key properties of 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol?
2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol has a molecular weight of 242.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol is sourced from PubChem (CID 174539962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).