9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene

C35H37ClO3 — CID 71465071

IUPAC9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
SMILESCCCCOCCCOc1ccc(C2(c3ccc(OCCCCl)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H37ClO3/c1-2-3-23-37-24-9-26-39-30-20-16-28(17-21-30)35(27-14-18-29(19-15-27)38-25-8-22-36)33-12-6-4-10-31(33)32-11-5-7-13-34(32)35/h4-7,10-21H,2-3,8-9,22-26H2,1H3
InChIKeyVXLXYHGAMFEESX-UHFFFAOYSA-N
MW541.13 g/mol
LogP8.64
Rot. Bonds14

About 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene

9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene (PubChem CID 71465071) has the molecular formula C35H37ClO3 and a molecular weight of 541.13 g/mol. Its IUPAC name is 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene.

Molecular Properties

Compound Name9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
PubChem CID71465071
Molecular FormulaC35H37ClO3
Molecular Weight541.13 g/mol
Exact Mass540.24
IUPAC Name9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
SMILESCCCCOCCCOc1ccc(C2(c3ccc(OCCCCl)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H37ClO3/c1-2-3-23-37-24-9-26-39-30-20-16-28(17-21-30)35(27-14-18-29(19-15-27)38-25-8-22-36)33-12-6-4-10-31(33)32-11-5-7-13-34(32)35/h4-7,10-21H,2-3,8-9,22-26H2,1H3
InChIKeyVXLXYHGAMFEESX-UHFFFAOYSA-N
XLogP8.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.13
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene
CID 3764404
Benzene, 1,1'-(1-phenylethylidene)bis(4-(heptyloxy)-
CID 118993836
Oxirane, 2,2'-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxymethylene)]bis-
CID 93249
Benzene, 1-((2-(4-(2-chloroethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067210
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-naphthalen-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 15860451
9H-Fluorene-9,9-diyldi-4,1-phenylene dicyanate
CID 2832082
1-[2,2-Dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene
CID 10254343
CID 14791400
CID 14791400
z-1-[4-(2-Benzyloxyethoxy)-phenyl]-4-chloro-1,2-diphenyl-but-1-ene
CID 70116950
2-chloro-6-methoxy-1-(4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1H-indene
CID 14791412
((9H-Fluorene-9,9-diyl)bis((4,1-phenylene)oxy)ethane-2,1-diyl) diprop-2-enoate
CID 17789732
9,9-Bis[4-(2-oxiranemethyloxyethyloxy)phenyl]fluorene
CID 57560406

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene?
The IUPAC name of 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene (CID 71465071) is 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene.
What is the SMILES notation for 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene?
The canonical SMILES for 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene is CCCCOCCCOc1ccc(C2(c3ccc(OCCCCl)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene?
The InChIKey is VXLXYHGAMFEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClO3/c1-2-3-23-37-24-9-26-39-30-20-16-28(17-21-30)35(27-14-18-29(19-15-27)38-25-8-22-36)33-12-6-4-10-31(33)32-11-5-7-13-34(32)35/h4-7,10-21H,2-3,8-9,22-26H2,1H3.
What are the key properties of 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene?
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene has a molecular weight of 541.13 g/mol, XLogP of 8.64, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene is sourced from PubChem (CID 71465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).