4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol

C21H24O3 — CID 142775367

IUPAC4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
SMILESCOc1ccc2c(c1)CC[C@@H](C1CCCC1c1ccc(O)cc1)O2
InChIInChI=1S/C21H24O3/c1-23-17-10-12-20-15(13-17)7-11-21(24-20)19-4-2-3-18(19)14-5-8-16(22)9-6-14/h5-6,8-10,12-13,18-19,21-22H,2-4,7,11H2,1H3/t18?,19?,21-/m0/s1
InChIKeyOFJCCKWHMRELPV-GRERDSQWSA-N
MW324.42 g/mol
LogP4.68
Rot. Bonds3

About 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol

4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol (PubChem CID 142775367) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol.

Molecular Properties

Compound Name4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
PubChem CID142775367
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
SMILESCOc1ccc2c(c1)CC[C@@H](C1CCCC1c1ccc(O)cc1)O2
InChIInChI=1S/C21H24O3/c1-23-17-10-12-20-15(13-17)7-11-21(24-20)19-4-2-3-18(19)14-5-8-16(22)9-6-14/h5-6,8-10,12-13,18-19,21-22H,2-4,7,11H2,1H3/t18?,19?,21-/m0/s1
InChIKeyOFJCCKWHMRELPV-GRERDSQWSA-N
XLogP4.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol with MolForge

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Related Compounds

(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-7-methyl-3,4-dihydro-2H-chromen-6-ol
CID 142775354
(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol
CID 142775349
(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol
CID 142775363
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
(3aR,4S,9bS)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol;(3aS,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 158135168
4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
CID 66652150
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 66651952
4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol
CID 59790868
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol?
The IUPAC name of 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol (CID 142775367) is 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol.
What is the SMILES notation for 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol?
The canonical SMILES for 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol is COc1ccc2c(c1)CC[C@@H](C1CCCC1c1ccc(O)cc1)O2.
What is the InChIKey of 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol?
The InChIKey is OFJCCKWHMRELPV-GRERDSQWSA-N. The full InChI is InChI=1S/C21H24O3/c1-23-17-10-12-20-15(13-17)7-11-21(24-20)19-4-2-3-18(19)14-5-8-16(22)9-6-14/h5-6,8-10,12-13,18-19,21-22H,2-4,7,11H2,1H3/t18?,19?,21-/m0/s1.
What are the key properties of 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol?
4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol has a molecular weight of 324.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol is sourced from PubChem (CID 142775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).