(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol

C21H24O3 — CID 142775349

IUPAC(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol
SMILESCc1cc(C2CCCC2[C@@H]2CCc3cc(O)ccc3O2)ccc1O
InChIInChI=1S/C21H24O3/c1-13-11-14(5-8-19(13)23)17-3-2-4-18(17)21-9-6-15-12-16(22)7-10-20(15)24-21/h5,7-8,10-12,17-18,21-23H,2-4,6,9H2,1H3/t17?,18?,21-/m0/s1
InChIKeyNNLUTCNNBVPRMZ-NGICGMGXSA-N
MW324.42 g/mol
LogP4.68
Rot. Bonds2

About (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol

(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol (PubChem CID 142775349) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol
PubChem CID142775349
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol
SMILESCc1cc(C2CCCC2[C@@H]2CCc3cc(O)ccc3O2)ccc1O
InChIInChI=1S/C21H24O3/c1-13-11-14(5-8-19(13)23)17-3-2-4-18(17)21-9-6-15-12-16(22)7-10-20(15)24-21/h5,7-8,10-12,17-18,21-23H,2-4,6,9H2,1H3/t17?,18?,21-/m0/s1
InChIKeyNNLUTCNNBVPRMZ-NGICGMGXSA-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
4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
CID 142775367
(2S)-2-[2-(4-hydroxyphenyl)cyclopentyl]-8-methyl-3,4-dihydro-2H-chromen-6-ol
CID 142775363
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
CID 10220538
2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol
CID 117046599
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
(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
ethane;(4R)-4-(4-hydroxyphenyl)-7-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 142244900
(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
CID 129388939
(3aR,4S,9bS)-4-(2,4-dimethylphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 58862267
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
CID 66652150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol (CID 142775349) is (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol is Cc1cc(C2CCCC2[C@@H]2CCc3cc(O)ccc3O2)ccc1O.
What is the InChIKey of (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is NNLUTCNNBVPRMZ-NGICGMGXSA-N. The full InChI is InChI=1S/C21H24O3/c1-13-11-14(5-8-19(13)23)17-3-2-4-18(17)21-9-6-15-12-16(22)7-10-20(15)24-21/h5,7-8,10-12,17-18,21-23H,2-4,6,9H2,1H3/t17?,18?,21-/m0/s1.
What are the key properties of (2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol?
(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-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-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 142775349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).