(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene

C16H16O2 — CID 15536179

IUPAC(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C16H16O2/c1-17-15-8-6-12(7-9-15)14-10-13-4-2-3-5-16(13)18-11-14/h2-9,14H,10-11H2,1H3/t14-/m1/s1
InChIKeyQXHSACYYRRRSEI-CQSZACIVSA-N
MW240.30 g/mol
LogP3.41
Rot. Bonds2

About (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene

(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene (PubChem CID 15536179) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
PubChem CID15536179
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCOc1ccc([C@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C16H16O2/c1-17-15-8-6-12(7-9-15)14-10-13-4-2-3-5-16(13)18-11-14/h2-9,14H,10-11H2,1H3/t14-/m1/s1
InChIKeyQXHSACYYRRRSEI-CQSZACIVSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
CID 100986544
4-(4-methoxyphenyl)-2-methylideneoxolane
CID 102089342
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene;3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene;4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 158514704
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-(4-methoxyphenyl)piperazine
CID 92968617
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
CID 42604484
7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 15628202
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol
CID 175078210
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 1482114
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene (CID 15536179) is (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene is COc1ccc([C@H]2COc3ccccc3C2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is QXHSACYYRRRSEI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16O2/c1-17-15-8-6-12(7-9-15)14-10-13-4-2-3-5-16(13)18-11-14/h2-9,14H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene?
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 240.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 15536179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).