[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate

C27H23ClO3 — CID 102381389

IUPAC[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
SMILESCO[C@](C)(C(=O)OC(c1ccccc1)c1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C27H23ClO3/c1-27(30-2,23-17-10-14-19-11-6-7-15-21(19)23)26(29)31-25(20-12-4-3-5-13-20)22-16-8-9-18-24(22)28/h3-18,25H,1-2H3/t25?,27-/m0/s1
InChIKeySAUTXOOXJBIWJH-GPNIZQGCSA-N
MW430.93 g/mol
LogP6.69
Rot. Bonds6

About [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate

[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate (PubChem CID 102381389) has the molecular formula C27H23ClO3 and a molecular weight of 430.93 g/mol. Its IUPAC name is [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Name[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
PubChem CID102381389
Molecular FormulaC27H23ClO3
Molecular Weight430.93 g/mol
Exact Mass430.13
IUPAC Name[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
SMILESCO[C@](C)(C(=O)OC(c1ccccc1)c1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C27H23ClO3/c1-27(30-2,23-17-10-14-19-11-6-7-15-21(19)23)26(29)31-25(20-12-4-3-5-13-20)22-16-8-9-18-24(22)28/h3-18,25H,1-2H3/t25?,27-/m0/s1
InChIKeySAUTXOOXJBIWJH-GPNIZQGCSA-N
XLogP6.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloroethyl 2-methoxy-2-naphthalen-1-ylpropanoate
CID 67769540
[(4S)-dec-1-yn-4-yl] (2R)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 101437820
(12R)-12-[(2R)-2-methoxy-2-naphthalen-1-ylpropanoyl]oxyoctadecanoic acid
CID 101471350
2-oxononadecan-10-yl (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 102393098
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
CID 150814441
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
[naphthalen-1-yl(phenyl)methyl] disulfanylformate
CID 163815998
[(1S,2E,6Z)-1-deuterio-3,7,11-trimethyldodeca-2,6,10-trienyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 119080188
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylpropanamide
CID 101263292
tert-butyl (2S,3R)-2-hydroxy-2-naphthalen-1-yl-3-phenylpent-4-ynoate
CID 101476199
[[2-[2,2-dimethylpropanoyloxy-(4-methylnaphthalen-1-yl)methyl]phenyl]-phenylmethyl] 2,2-dimethylpropanoate
CID 71618871
2-[bis(2-chlorophenyl)methoxy]acetic acid
CID 57126454

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate?
The IUPAC name of [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate (CID 102381389) is [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate.
What is the SMILES notation for [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate?
The canonical SMILES for [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate is CO[C@](C)(C(=O)OC(c1ccccc1)c1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate?
The InChIKey is SAUTXOOXJBIWJH-GPNIZQGCSA-N. The full InChI is InChI=1S/C27H23ClO3/c1-27(30-2,23-17-10-14-19-11-6-7-15-21(19)23)26(29)31-25(20-12-4-3-5-13-20)22-16-8-9-18-24(22)28/h3-18,25H,1-2H3/t25?,27-/m0/s1.
What are the key properties of [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate?
[(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate has a molecular weight of 430.93 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-phenylmethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate is sourced from PubChem (CID 102381389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).