(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol

C24H28O5 — CID 10927384

IUPAC(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(C[C@H](C)O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(OC)c1
InChIInChI=1S/C24H28O5/c1-14-9-19-18(7-8-20(27-4)24(19)21(10-14)28-5)23-16(11-15(2)25)12-17(26-3)13-22(23)29-6/h7-10,12-13,15,25H,11H2,1-6H3/t15-/m0/s1
InChIKeyNWGDSSSSILKCRC-HNNXBMFYSA-N
MW396.48 g/mol
LogP4.77
Rot. Bonds7

About (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol

(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol (PubChem CID 10927384) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol
PubChem CID10927384
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(C[C@H](C)O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(OC)c1
InChIInChI=1S/C24H28O5/c1-14-9-19-18(7-8-20(27-4)24(19)21(10-14)28-5)23-16(11-15(2)25)12-17(26-3)13-22(23)29-6/h7-10,12-13,15,25H,11H2,1-6H3/t15-/m0/s1
InChIKeyNWGDSSSSILKCRC-HNNXBMFYSA-N
XLogP4.77
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
CID 11730950
5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11455686
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide
CID 45258852
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
7-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 21362776
(1S,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 162904112
(1R,3R)-7-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 155552929
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
(1R,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
CID 163066508
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
(1S,3S)-6,8-dimethoxy-5-(5-methoxy-7-methyl-4-propan-2-yloxynaphthalen-1-yl)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 15871974

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol?
The IUPAC name of (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol (CID 10927384) is (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol is COc1cc(C[C@H](C)O)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c(OC)c1.
What is the InChIKey of (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol?
The InChIKey is NWGDSSSSILKCRC-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28O5/c1-14-9-19-18(7-8-20(27-4)24(19)21(10-14)28-5)23-16(11-15(2)25)12-17(26-3)13-22(23)29-6/h7-10,12-13,15,25H,11H2,1-6H3/t15-/m0/s1.
What are the key properties of (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol?
(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol has a molecular weight of 396.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol is sourced from PubChem (CID 10927384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).