(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene

C31H46O5 — CID 70319763

IUPAC(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCCCCOc1cc(OCCCC)c2c(c1)O[C@@H](c1ccc(OCCCC)c(OCCCC)c1)CC2
InChIInChI=1S/C31H46O5/c1-5-9-17-32-25-22-29(34-19-11-7-3)26-14-16-27(36-30(26)23-25)24-13-15-28(33-18-10-6-2)31(21-24)35-20-12-8-4/h13,15,21-23,27H,5-12,14,16-20H2,1-4H3/t27-/m1/s1
InChIKeyWKWMLYZAEHGYOA-HHHXNRCGSA-N
MW498.70 g/mol
LogP8.47
Rot. Bonds17

About (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene

(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene (PubChem CID 70319763) has the molecular formula C31H46O5 and a molecular weight of 498.70 g/mol. Its IUPAC name is (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene
PubChem CID70319763
Molecular FormulaC31H46O5
Molecular Weight498.70 g/mol
Exact Mass498.33
IUPAC Name(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCCCCOc1cc(OCCCC)c2c(c1)O[C@@H](c1ccc(OCCCC)c(OCCCC)c1)CC2
InChIInChI=1S/C31H46O5/c1-5-9-17-32-25-22-29(34-19-11-7-3)26-14-16-27(36-30(26)23-25)24-13-15-28(33-18-10-6-2)31(21-24)35-20-12-8-4/h13,15,21-23,27H,5-12,14,16-20H2,1-4H3/t27-/m1/s1
InChIKeyWKWMLYZAEHGYOA-HHHXNRCGSA-N
XLogP8.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-2,3-dihydrochromen-4-one
CID 91737292
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
CID 13045742
(2R,3R)-5,7-dibutoxy-2-(4-butoxy-3-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-ol
CID 71260096
(3S,4S,6S)-6-[2-butoxy-4-[(2R,3S)-5,7-dibutoxy-3-hydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 71260072
2-(3,4-dibutoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 91715643
ethyl 2-[5-[(2R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]acetate
CID 90388104
(E)-1,2-bis(3,4-dibutoxyphenyl)ethene-1,2-dithiol
CID 101023199
2,4,6-tributoxyaniline
CID 130240432
1,3-dibutoxy-5-cyclopropylbenzene
CID 118425724
2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 25232840
1,3,5-tributoxybenzene
CID 15933337
5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene;fluoro 3-fluoro-4,5-bis(phenylmethoxy)benzoate
CID 166479798

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene (CID 70319763) is (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene is CCCCOc1cc(OCCCC)c2c(c1)O[C@@H](c1ccc(OCCCC)c(OCCCC)c1)CC2.
What is the InChIKey of (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is WKWMLYZAEHGYOA-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H46O5/c1-5-9-17-32-25-22-29(34-19-11-7-3)26-14-16-27(36-30(26)23-25)24-13-15-28(33-18-10-6-2)31(21-24)35-20-12-8-4/h13,15,21-23,27H,5-12,14,16-20H2,1-4H3/t27-/m1/s1.
What are the key properties of (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene?
(2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 498.70 g/mol, XLogP of 8.47, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dibutoxy-2-(3,4-dibutoxyphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 70319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).