1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol

C31H29FO3 — CID 170744433

IUPAC1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol
SMILESCc1cc(-c2cc(C)c(OCc3ccccc3)cc2C2(O)CC2)c(F)cc1OCc1ccccc1
InChIInChI=1S/C31H29FO3/c1-21-15-25(26-16-22(2)30(18-28(26)32)35-20-24-11-7-4-8-12-24)27(31(33)13-14-31)17-29(21)34-19-23-9-5-3-6-10-23/h3-12,15-18,33H,13-14,19-20H2,1-2H3
InChIKeyUEGLBEVTVPEAHV-UHFFFAOYSA-N
MW468.57 g/mol
LogP7.25
Rot. Bonds8

About 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol

1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol (PubChem CID 170744433) has the molecular formula C31H29FO3 and a molecular weight of 468.57 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol
PubChem CID170744433
Molecular FormulaC31H29FO3
Molecular Weight468.57 g/mol
Exact Mass468.21
IUPAC Name1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol
SMILESCc1cc(-c2cc(C)c(OCc3ccccc3)cc2C2(O)CC2)c(F)cc1OCc1ccccc1
InChIInChI=1S/C31H29FO3/c1-21-15-25(26-16-22(2)30(18-28(26)32)35-20-24-11-7-4-8-12-24)27(31(33)13-14-31)17-29(21)34-19-23-9-5-3-6-10-23/h3-12,15-18,33H,13-14,19-20H2,1-2H3
InChIKeyUEGLBEVTVPEAHV-UHFFFAOYSA-N
XLogP7.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-5-phenylmethoxyphenyl]cyclobutan-1-ol
CID 170744426
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]
CID 170744409
9-ethyl-2-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
CID 170744452
2-ethyl-9-methyl-3,8-bis(phenylmethoxy)spiro[benzo[c]chromene-6,1'-cyclobutane]
CID 170744454
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
3-[bromo(difluoro)methyl]-6-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol (CID 170744433) is 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol is Cc1cc(-c2cc(C)c(OCc3ccccc3)cc2C2(O)CC2)c(F)cc1OCc1ccccc1.
What is the InChIKey of 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol?
The InChIKey is UEGLBEVTVPEAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FO3/c1-21-15-25(26-16-22(2)30(18-28(26)32)35-20-24-11-7-4-8-12-24)27(31(33)13-14-31)17-29(21)34-19-23-9-5-3-6-10-23/h3-12,15-18,33H,13-14,19-20H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol?
1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol has a molecular weight of 468.57 g/mol, XLogP of 7.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-4-methyl-5-phenylmethoxyphenyl]cyclopropan-1-ol is sourced from PubChem (CID 170744433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).