(2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid

C24H26O5 — CID 66624192

IUPAC(2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid
SMILESCOc1ccc2cc([C@@H](CCC(O)COCc3ccccc3)C(=O)O)ccc2c1
InChIInChI=1S/C24H26O5/c1-28-22-11-9-18-13-20(8-7-19(18)14-22)23(24(26)27)12-10-21(25)16-29-15-17-5-3-2-4-6-17/h2-9,11,13-14,21,23,25H,10,12,15-16H2,1H3,(H,26,27)/t21?,23-/m1/s1
InChIKeyMGSJBCCDDSZFDX-JFGZAKSSSA-N
MW394.47 g/mol
LogP4.37
Rot. Bonds10

About (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid

(2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid (PubChem CID 66624192) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid.

Molecular Properties

Compound Name(2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid
PubChem CID66624192
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name(2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid
SMILESCOc1ccc2cc([C@@H](CCC(O)COCc3ccccc3)C(=O)O)ccc2c1
InChIInChI=1S/C24H26O5/c1-28-22-11-9-18-13-20(8-7-19(18)14-22)23(24(26)27)12-10-21(25)16-29-15-17-5-3-2-4-6-17/h2-9,11,13-14,21,23,25H,10,12,15-16H2,1H3,(H,26,27)/t21?,23-/m1/s1
InChIKeyMGSJBCCDDSZFDX-JFGZAKSSSA-N
XLogP4.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2S)-7-hydroxy-2-(6-methoxynaphthalen-2-yl)-5,6-dinitrooxyheptanoic acid
CID 87270600
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
2-(6-methoxynaphthalen-2-yl)hept-6-enoic acid;methyl 2-(6-methoxynaphthalen-2-yl)hept-6-enoate
CID 69251620
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
tert-butyl (3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexanoate
CID 141144688

Frequently Asked Questions

What is the IUPAC name of (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid?
The IUPAC name of (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid (CID 66624192) is (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid.
What is the SMILES notation for (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid?
The canonical SMILES for (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid is COc1ccc2cc([C@@H](CCC(O)COCc3ccccc3)C(=O)O)ccc2c1.
What is the InChIKey of (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid?
The InChIKey is MGSJBCCDDSZFDX-JFGZAKSSSA-N. The full InChI is InChI=1S/C24H26O5/c1-28-22-11-9-18-13-20(8-7-19(18)14-22)23(24(26)27)12-10-21(25)16-29-15-17-5-3-2-4-6-17/h2-9,11,13-14,21,23,25H,10,12,15-16H2,1H3,(H,26,27)/t21?,23-/m1/s1.
What are the key properties of (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid?
(2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid has a molecular weight of 394.47 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-hydroxy-2-(6-methoxynaphthalen-2-yl)-6-phenylmethoxyhexanoic acid is sourced from PubChem (CID 66624192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).