CID 177385381

C18H20O2 — CID 177385381

IUPAC—
SMILESCCC(c1ccc([O])cc1)C(CC)c1ccc([O])cc1
InChIInChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18H,3-4H2,1-2H3
InChIKeyOGJMFNGKKNAHJS-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.66
Rot. Bonds5

About CID 177385381

CID 177385381 (PubChem CID 177385381) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol.

Molecular Properties

Compound NameCID 177385381
PubChem CID177385381
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name—
SMILESCCC(c1ccc([O])cc1)C(CC)c1ccc([O])cc1
InChIInChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18H,3-4H2,1-2H3
InChIKeyOGJMFNGKKNAHJS-UHFFFAOYSA-N
XLogP5.66
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 177385381 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
[4-[(3R,4R)-4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate
CID 7005058
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
CID 172652800
CID 172652800
3,4-diphenylhexanoic acid
CID 153127747
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
1-bromo-4-(4-bromohexan-3-yl)benzene
CID 79307100
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
CID 125465303

Frequently Asked Questions

What is the IUPAC name of CID 177385381?
The IUPAC name of CID 177385381 (CID 177385381) is not available.
What is the SMILES notation for CID 177385381?
The canonical SMILES for CID 177385381 is CCC(c1ccc([O])cc1)C(CC)c1ccc([O])cc1.
What is the InChIKey of CID 177385381?
The InChIKey is OGJMFNGKKNAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of CID 177385381?
CID 177385381 has a molecular weight of 268.36 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177385381 is sourced from PubChem (CID 177385381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).