(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol

C21H24O3 — CID 142775363

IUPAC(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol
SMILESCc1cc(O)cc2c1O[C@H](C1CCCC1c1ccc(O)cc1)CC2
InChIInChI=1S/C21H24O3/c1-13-11-17(23)12-15-7-10-20(24-21(13)15)19-4-2-3-18(19)14-5-8-16(22)9-6-14/h5-6,8-9,11-12,18-20,22-23H,2-4,7,10H2,1H3/t18?,19?,20-/m0/s1
InChIKeyUPYGUPYXUFCIEA-MHJFOBGBSA-N
MW324.42 g/mol
LogP4.68
Rot. Bonds2

About (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol

(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 142775363) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol
PubChem CID142775363
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol
SMILESCc1cc(O)cc2c1O[C@H](C1CCCC1c1ccc(O)cc1)CC2
InChIInChI=1S/C21H24O3/c1-13-11-17(23)12-15-7-10-20(24-21(13)15)19-4-2-3-18(19)14-5-8-16(22)9-6-14/h5-6,8-9,11-12,18-20,22-23H,2-4,7,10H2,1H3/t18?,19?,20-/m0/s1
InChIKeyUPYGUPYXUFCIEA-MHJFOBGBSA-N
XLogP4.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
CID 142775367
4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
CID 66652150
(4bR,8aR,9R)-9-(4-hydroxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-ol
CID 11572925
(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
CID 25186922
ethane;(4R)-4-(4-hydroxyphenyl)-7-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 142244900
(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-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
CID 66651907
(3aR,4R,9bR)-6-ethenyl-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
CID 11855726
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
CID 10220538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol (CID 142775363) is (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol is Cc1cc(O)cc2c1O[C@H](C1CCCC1c1ccc(O)cc1)CC2.
What is the InChIKey of (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is UPYGUPYXUFCIEA-MHJFOBGBSA-N. The full InChI is InChI=1S/C21H24O3/c1-13-11-17(23)12-15-7-10-20(24-21(13)15)19-4-2-3-18(19)14-5-8-16(22)9-6-14/h5-6,8-9,11-12,18-20,22-23H,2-4,7,10H2,1H3/t18?,19?,20-/m0/s1.
What are the key properties of (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol?
(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 324.42 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 142775363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).