1-(cyclopropylmethoxymethyl)-4-phenylbenzene

C17H18O — CID 59259711

IUPAC1-(cyclopropylmethoxymethyl)-4-phenylbenzene
SMILESc1ccc(-c2ccc(COCC3CC3)cc2)cc1
InChIInChI=1S/C17H18O/c1-2-4-16(5-3-1)17-10-8-15(9-11-17)13-18-12-14-6-7-14/h1-5,8-11,14H,6-7,12-13H2
InChIKeyWQUADCDCPXDKRC-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.28
Rot. Bonds5

About 1-(cyclopropylmethoxymethyl)-4-phenylbenzene

1-(cyclopropylmethoxymethyl)-4-phenylbenzene (PubChem CID 59259711) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-4-phenylbenzene
PubChem CID59259711
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(cyclopropylmethoxymethyl)-4-phenylbenzene
SMILESc1ccc(-c2ccc(COCC3CC3)cc2)cc1
InChIInChI=1S/C17H18O/c1-2-4-16(5-3-1)17-10-8-15(9-11-17)13-18-12-14-6-7-14/h1-5,8-11,14H,6-7,12-13H2
InChIKeyWQUADCDCPXDKRC-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
CID 105344863
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
4-(phenylmethoxymethyl)oxepane
CID 151980287

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-4-phenylbenzene?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-4-phenylbenzene (CID 59259711) is 1-(cyclopropylmethoxymethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-4-phenylbenzene?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-4-phenylbenzene is c1ccc(-c2ccc(COCC3CC3)cc2)cc1.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-4-phenylbenzene?
The InChIKey is WQUADCDCPXDKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-4-16(5-3-1)17-10-8-15(9-11-17)13-18-12-14-6-7-14/h1-5,8-11,14H,6-7,12-13H2.
What are the key properties of 1-(cyclopropylmethoxymethyl)-4-phenylbenzene?
1-(cyclopropylmethoxymethyl)-4-phenylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-4-phenylbenzene is sourced from PubChem (CID 59259711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).