ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol

C22H22O4 — CID 145204592

IUPACethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol
SMILESCC.COc1c(O)cccc1C1=COc2ccc3ccccc3c2C1O
InChIInChI=1S/C20H16O4.C2H6/c1-23-20-14(7-4-8-16(20)21)15-11-24-17-10-9-12-5-2-3-6-13(12)18(17)19(15)22;1-2/h2-11,19,21-22H,1H3;1-2H3
InChIKeyFJJBMFSYQAWXEK-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.05
Rot. Bonds2

About ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol

ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol (PubChem CID 145204592) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol.

Molecular Properties

Compound Nameethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol
PubChem CID145204592
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Nameethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol
SMILESCC.COc1c(O)cccc1C1=COc2ccc3ccccc3c2C1O
InChIInChI=1S/C20H16O4.C2H6/c1-23-20-14(7-4-8-16(20)21)15-11-24-17-10-9-12-5-2-3-6-13(12)18(17)19(15)22;1-2/h2-11,19,21-22H,1H3;1-2H3
InChIKeyFJJBMFSYQAWXEK-UHFFFAOYSA-N
XLogP5.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-ol
CID 59656246
chloromethane;ethane;naphthalen-1-ol
CID 144848699
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
2-(2-hydroxyphenyl)-7,8-dihydro-1H-benzo[f]chromen-1-ol
CID 145205024
(1R,13S)-12,14-dioxahexacyclo[11.11.0.02,11.03,8.015,24.018,23]tetracosa-2(11),3,5,7,9,15(24),16,18,20,22-decaen-10-ol
CID 10336487
1H-cyclopenta[a]naphthalene-1,2,3-triol
CID 86632047
[(1S,2S)-2-acetyloxy-1,2-dihydrobenzo[e][1]benzofuran-1-yl] acetate
CID 10085367
naphthalene;naphthalen-1-ol
CID 174561564
tetrakis(naphthalen-1-ol);titanium
CID 18400436
1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
(12S)-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 24766854
butane;naphthalen-1-ol
CID 142905950

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol?
The IUPAC name of ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol (CID 145204592) is ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol.
What is the SMILES notation for ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol?
The canonical SMILES for ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol is CC.COc1c(O)cccc1C1=COc2ccc3ccccc3c2C1O.
What is the InChIKey of ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol?
The InChIKey is FJJBMFSYQAWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4.C2H6/c1-23-20-14(7-4-8-16(20)21)15-11-24-17-10-9-12-5-2-3-6-13(12)18(17)19(15)22;1-2/h2-11,19,21-22H,1H3;1-2H3.
What are the key properties of ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol?
ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol has a molecular weight of 350.41 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-hydroxy-2-methoxyphenyl)-1H-benzo[f]chromen-1-ol is sourced from PubChem (CID 145204592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).