[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate

C18H18O4 — CID 69379697

IUPAC[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
SMILESCC(=O)O[C@H]1CCOc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H18O4/c1-13(19)22-17-9-10-20-18-11-15(7-8-16(17)18)21-12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3/t17-/m0/s1
InChIKeyRPHWQNHOKSBPFQ-KRWDZBQOSA-N
MW298.34 g/mol
LogP3.65
Rot. Bonds4

About [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate

[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate (PubChem CID 69379697) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate.

Molecular Properties

Compound Name[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
PubChem CID69379697
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate
SMILESCC(=O)O[C@H]1CCOc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H18O4/c1-13(19)22-17-9-10-20-18-11-15(7-8-16(17)18)21-12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3/t17-/m0/s1
InChIKeyRPHWQNHOKSBPFQ-KRWDZBQOSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
8-methyl-3-phenylmethoxy-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium
CID 11431997
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
N-(methoxymethoxy)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 102066251
[2-(2-acetyloxy-4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] dodecanoate
CID 139828255
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7221943
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313

Frequently Asked Questions

What is the IUPAC name of [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate?
The IUPAC name of [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate (CID 69379697) is [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate.
What is the SMILES notation for [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate?
The canonical SMILES for [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate is CC(=O)O[C@H]1CCOc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate?
The InChIKey is RPHWQNHOKSBPFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)22-17-9-10-20-18-11-15(7-8-16(17)18)21-12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3/t17-/m0/s1.
What are the key properties of [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate?
[(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl] acetate is sourced from PubChem (CID 69379697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).