tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol

C24H34O5 — CID 142258750

IUPACtert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)C1CC1Cc1cccc(OCc2ccccc2)c1.CO.CO
InChIInChI=1S/C22H26O3.2CH4O/c1-22(2,3)25-21(23)20-14-18(20)12-17-10-7-11-19(13-17)24-15-16-8-5-4-6-9-16;2*1-2/h4-11,13,18,20H,12,14-15H2,1-3H3;2*2H,1H3
InChIKeyHANQTPUBCFRHGS-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.00
Rot. Bonds6

About tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol

tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol (PubChem CID 142258750) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol
PubChem CID142258750
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Nametert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)C1CC1Cc1cccc(OCc2ccccc2)c1.CO.CO
InChIInChI=1S/C22H26O3.2CH4O/c1-22(2,3)25-21(23)20-14-18(20)12-17-10-7-11-19(13-17)24-15-16-8-5-4-6-9-16;2*1-2/h4-11,13,18,20H,12,14-15H2,1-3H3;2*2H,1H3
InChIKeyHANQTPUBCFRHGS-UHFFFAOYSA-N
XLogP4.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
tert-butyl 2-[[3-(methylamino)phenyl]methyl]cyclopropane-1-carboxylate
CID 67562931
tert-butyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 67561637
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 138481057
cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 169232126
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
CID 178043404
CID 178043404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol?
The IUPAC name of tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol (CID 142258750) is tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol?
The canonical SMILES for tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol is CC(C)(C)OC(=O)C1CC1Cc1cccc(OCc2ccccc2)c1.CO.CO.
What is the InChIKey of tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol?
The InChIKey is HANQTPUBCFRHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3.2CH4O/c1-22(2,3)25-21(23)20-14-18(20)12-17-10-7-11-19(13-17)24-15-16-8-5-4-6-9-16;2*1-2/h4-11,13,18,20H,12,14-15H2,1-3H3;2*2H,1H3.
What are the key properties of tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol?
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol has a molecular weight of 402.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1-carboxylate;methanol is sourced from PubChem (CID 142258750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).