1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene

C19H18O2 — CID 168720072

IUPAC1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene
SMILESC#Cc1cc(OCc2ccccc2)ccc1OCC1CC1
InChIInChI=1S/C19H18O2/c1-2-17-12-18(20-13-15-6-4-3-5-7-15)10-11-19(17)21-14-16-8-9-16/h1,3-7,10-12,16H,8-9,13-14H2
InChIKeyROENVRHORJDGKL-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.04
Rot. Bonds6

About 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene

1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene (PubChem CID 168720072) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene
PubChem CID168720072
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene
SMILESC#Cc1cc(OCc2ccccc2)ccc1OCC1CC1
InChIInChI=1S/C19H18O2/c1-2-17-12-18(20-13-15-6-4-3-5-7-15)10-11-19(17)21-14-16-8-9-16/h1,3-7,10-12,16H,8-9,13-14H2
InChIKeyROENVRHORJDGKL-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene
CID 155907424
1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
CID 11514697
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
4-(cyclohexylmethoxy)-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 22616636
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
cyclopropylmethoxybenzene
CID 12712156
2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
2-bromo-1-(cyclopropylmethoxy)-4-ethynylbenzene
CID 138985603

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene (CID 168720072) is 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene is C#Cc1cc(OCc2ccccc2)ccc1OCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene?
The InChIKey is ROENVRHORJDGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-17-12-18(20-13-15-6-4-3-5-7-15)10-11-19(17)21-14-16-8-9-16/h1,3-7,10-12,16H,8-9,13-14H2.
What are the key properties of 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene?
1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene has a molecular weight of 278.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene is sourced from PubChem (CID 168720072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).